pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoranyl-4-nonyl-benzoate

Systemtic Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoranyl-4-nonyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-nonyl-benzoate CAS Name: 5-(4-ethylphenyl)-2-fluoro-4-nonylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-nonylbenzoate Traditional Name: 5-(4-ethylphenyl)-2-fluoro-4-nonyl-benzoic acid pyrazin-2-yl ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C28H33FN2O2/c1-3-5-6-7-8-9-10-11-23-18-26(29)25(28(32)33-27-20-30-16-17-31-27)19-24(23)22-14-12-21(4-2)13-15-22/h12-20H,3-11H2,1-2H3